1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C25H24N2O2 — CID 108974862

IUPAC1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N2O2/c28-23(26-18-20-10-4-1-5-11-20)25(16-17-25)24(29)27(22-14-8-3-9-15-22)19-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,26,28)
InChIKeyBLTNWSSACUEEJZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.32
Rot. Bonds7

About 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108974862) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108974862
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N2O2/c28-23(26-18-20-10-4-1-5-11-20)25(16-17-25)24(29)27(22-14-8-3-9-15-22)19-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,26,28)
InChIKeyBLTNWSSACUEEJZ-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108975315
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976433
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108974862) is 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is O=C(NCc1ccccc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is BLTNWSSACUEEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-23(26-18-20-10-4-1-5-11-20)25(16-17-25)24(29)27(22-14-8-3-9-15-22)19-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,26,28).
What are the key properties of 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).